CID 3034189

Carbamothioic acid, methyl-, o-butyl ester

Structural Information

Molecular Formula
C6H13NOS
SMILES
CCCCOC(=S)NC
InChI
InChI=1S/C6H13NOS/c1-3-4-5-8-6(9)7-2/h3-5H2,1-2H3,(H,7,9)
InChIKey
DJFNWCMRLYVRNG-UHFFFAOYSA-N
Compound name
O-butyl N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

147.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.079076 131.6
[M+Na]+ 170.061018 138.1
[M-H]- 146.064524 132.0
[M+NH4]+ 165.105623 153.3
[M+K]+ 186.034958 136.9
[M+H-H2O]+ 130.069060 126.4
[M+HCOO]- 192.070001 150.2
[M+CH3COO]- 206.085651 176.4
[M+Na-2H]- 168.046466 134.1
[M]+ 147.07125142 134.0
[M]- 147.07234858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe